Ta2O5
Tantalum pentoxide · Tantalum(V) oxide
Tantalum pentoxide is a white, insoluble solid that serves as a primary source for tantalum metal and various tantalum-based compounds. Due to its high refractive index and chemical stability, it is widely utilized in the production of optical components and electronic devices.
Key Properties
Cross-validated computational properties for Tantalum pentoxide, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ta2O5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.23 | 0.0000 | -10.271 | 8.73 |
| Pmmn (No. 59) | orthorhombic | 2.32 | 0.0136 | -10.258 | 7.56 |
| P2/m (No. 10) | monoclinic | 2.34 | 0.0139 | -10.257 | 7.57 |
| Pmmn (No. 59) | orthorhombic | 2.38 | 0.0147 | -10.257 | 7.62 |
| Pm (No. 6) | monoclinic | 2.16 | 0.0520 | -10.219 | 8.09 |
| Cm (No. 8) | monoclinic | 3.07 | 0.0577 | -10.214 | 8.17 |
| Pmma (No. 51) | orthorhombic | 2.03 | 0.0581 | -10.213 | 8.19 |
| C2 (No. 5) | monoclinic | 1.33 | 0.0616 | -10.210 | 7.03 |
| P1 (No. 1) | triclinic | 3.08 | 0.0792 | -10.192 | 8.00 |
| Pbam (No. 55) | orthorhombic | 2.78 | 0.0911 | -10.180 | 6.39 |
| C2 (No. 5) | monoclinic | 3.30 | 0.1050 | -10.166 | 5.60 |
| Pbam (No. 55) | orthorhombic | 3.47 | 0.1165 | -10.155 | 6.13 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ta2O5.
Applications
Where Tantalum pentoxide is used.
Frequently Asked Questions
Common questions about Tantalum pentoxide, answered from cross-validated data.
What is Ta2O5?
Tantalum pentoxide is a white, insoluble solid that serves as a primary source for tantalum metal and various tantalum-based compounds. Due to its high refractive index and chemical stability, it is widely utilized in the production of optical components and electronic devices.
What is Ta2O5 used for?
What is the band gap of Ta2O5?
Is Ta2O5 a metal, semiconductor, or insulator?
Is Ta2O5 thermodynamically stable?
What is the crystal structure of Ta2O5?
What is the density of Ta2O5?
How many polymorphs of Ta2O5 are known?
How is Ta2O5 synthesized?
What elements does Ta2O5 contain?
Where does the data for Ta2O5 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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